General Information of the Compound
Compound ID
CP0475538
Compound Name
3-cyano-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
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Structure
Formula
C20H13N3O3S
Molecular Weight
375.409
Canonical SMILES
O=c1[nH]c2ccc(NS(=O)(=O)c3cccc(c3)C#N)cc2c2ccccc12
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InChI
InChI=1S/C20H13N3O3S/c21-12-13-4-3-5-15(10-13)27(25,26)23-14-8-9-19-18(11-14)16-6-1-2-7-17(16)20(24)22-19/h1-11,23H,(H,22,24)
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InChIKey
XXAHSMZGLFGSDW-UHFFFAOYSA-N
Physicochemical Property
logP
3.35378
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
102.82
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
27

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 155513805
ChEMBL ID
CHEMBL4439538
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01462, Bromodomain-containing protein 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1790 nM
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